6MGX
Crystal Structure of the New Deli Metallo Beta Lactamase Variant 6 Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.715, 73.901, 78.068 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.034 - 2.600 |
R-factor | 0.2118 |
Rwork | 0.209 |
R-free | 0.26010 |
Starting model (for MR) | 4hl2 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.987 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.166 | 0.693 |
Number of reflections | 12723 | 618 |
<I/σ(I)> | 9 | 2.23 |
Completeness [%] | 97.5 | 98.9 |
Redundancy | 3.6 | 3.4 |
CC(1/2) | 0.731 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 0.1 M Sodium Citrate, 20% (w/v) PEG 4000, 20% (v/v) 2-Propanol |